Gabriel Grand

Lionel Wong, Gabriel Grand, Alexander K. Lew et al. · microsoft-research, mit

How does language inform our downstream thinking? In particular, how do humans make meaning from language--and how can we leverage a theory of linguistic meaning to build machines that think in more human-like ways? In this paper, we propose rational meaning construction, a computational framework for language-informed thinking that combines neural language models with probabilistic models for rational inference. We frame linguistic meaning as a context-sensitive mapping from natural language into a probabilistic language of thought (PLoT)--a general-purpose symbolic substrate for generative world modeling. Our architecture integrates two computational tools that have not previously come together: we model thinking with probabilistic programs, an expressive representation for commonsense reasoning; and we model meaning construction with large language models (LLMs), which support broad-coverage translation from natural language utterances to code expressions in a probabilistic programming language. We illustrate our framework through examples covering four core domains from cognitive science: probabilistic reasoning, logical and relational reasoning, visual and physical reasoning, and social reasoning. In each, we show that LLMs can generate context-sensitive translations that capture pragmatically-appropriate linguistic meanings, while Bayesian inference with the generated programs supports coherent and robust commonsense reasoning. We extend our framework to integrate cognitively-motivated symbolic modules (physics simulators, graphics engines, and planning algorithms) to provide a unified commonsense thinking interface from language. Finally, we explore how language can drive the construction of world models themselves. We hope this work will provide a roadmap towards cognitive models and AI systems that synthesize the insights of both modern and classical computational perspectives.

Catherine Wong, William P. McCarthy, Gabriel Grand et al. · microsoft-research, mit

Our understanding of the visual world goes beyond naming objects, encompassing our ability to parse objects into meaningful parts, attributes, and relations. In this work, we leverage natural language descriptions for a diverse set of 2K procedurally generated objects to identify the parts people use and the principles leading these parts to be favored over others. We formalize our problem as search over a space of program libraries that contain different part concepts, using tools from machine translation to evaluate how well programs expressed in each library align to human language. By combining naturalistic language at scale with structured program representations, we discover a fundamental information-theoretic tradeoff governing the part concepts people name: people favor a lexicon that allows concise descriptions of each object, while also minimizing the size of the lexicon itself.

Alexander K. Lew, Tan Zhi-Xuan, Gabriel Grand et al.

Even after fine-tuning and reinforcement learning, large language models (LLMs) can be difficult, if not impossible, to control reliably with prompts alone. We propose a new inference-time approach to enforcing syntactic and semantic constraints on the outputs of LLMs, called sequential Monte Carlo (SMC) steering. The key idea is to specify language generation tasks as posterior inference problems in a class of discrete probabilistic sequence models, and replace standard decoding with sequential Monte Carlo inference. For a computational cost similar to that of beam search, SMC can steer LLMs to solve diverse tasks, including infilling, generation under syntactic constraints, and prompt intersection. To facilitate experimentation with SMC steering, we present a probabilistic programming library, LLaMPPL (https://github.com/probcomp/hfppl), for concisely specifying new generation tasks as language model probabilistic programs, and automating steering of LLaMA-family Transformers.

Matthew Bowers, Theo X. Olausson, Lionel Wong et al.

This paper introduces corpus-guided top-down synthesis as a mechanism for synthesizing library functions that capture common functionality from a corpus of programs in a domain specific language (DSL). The algorithm builds abstractions directly from initial DSL primitives, using syntactic pattern matching of intermediate abstractions to intelligently prune the search space and guide the algorithm towards abstractions that maximally capture shared structures in the corpus. We present an implementation of the approach in a tool called Stitch and evaluate it against the state-of-the-art deductive library learning algorithm from DreamCoder. Our evaluation shows that Stitch is 3-4 orders of magnitude faster and uses 2 orders of magnitude less memory while maintaining comparable or better library quality (as measured by compressivity). We also demonstrate Stitch's scalability on corpora containing hundreds of complex programs that are intractable with prior deductive approaches and show empirically that it is robust to terminating the search procedure early -- further allowing it to scale to challenging datasets by means of early stopping.

Walid Ahmad, Elana Simon, Seyone Chithrananda et al.

Large pretrained models such as GPT-3 have had tremendous impact on modern natural language processing by leveraging self-supervised learning to learn salient representations that can be used to readily finetune on a wide variety of downstream tasks. We investigate the possibility of transferring such advances to molecular machine learning by building a chemical foundation model, ChemBERTa-2, using the language of SMILES. While labeled data for molecular prediction tasks is typically scarce, libraries of SMILES strings are readily available. In this work, we build upon ChemBERTa by optimizing the pretraining process. We compare multi-task and self-supervised pretraining by varying hyperparameters and pretraining dataset size, up to 77M compounds from PubChem. To our knowledge, the 77M set constitutes one of the largest datasets used for molecular pretraining to date. We find that with these pretraining improvements, we are competitive with existing state-of-the-art architectures on the MoleculeNet benchmark suite. We analyze the degree to which improvements in pretraining translate to improvement on downstream tasks.

Daniel Arnould, Rashad Aziz, Zixuan Kang et al.

Large Language Models (LLMs) excel at static reasoning tasks, yet their performance often degrades in interactive scenarios where information must be actively acquired through questioning. A key challenge lies in selecting questions that reduce uncertainty while incorporating responses that may be ambiguous or only partially informative. To address this, we propose Conversation-Aware Bayesian Experimental Design (CA-BED), an inference-time probabilistic dialog planning framework that integrates Bayesian Experimental Design with LLM-based likelihood estimation to optimize question selection over multiple conversational turns. CA-BED maintains a belief distribution over hypotheses, anticipates possible answers, and propagates expected information gain through a simulated conversation tree. Across two structured entity-deduction benchmarks, CA-BED yields an average 21.8% improvement in success rates over direct prompting, with comparable gains relative to alternative information-seeking methods. It achieves these gains with an average increase of only 1.8 conversational turns compared to direct prompting.

Gabriel Grand, Lionel Wong, Maddy Bowers et al.

While large language models (LLMs) now excel at code generation, a key aspect of software development is the art of refactoring: consolidating code into libraries of reusable and readable programs. In this paper, we introduce LILO, a neurosymbolic framework that iteratively synthesizes, compresses, and documents code to build libraries tailored to particular problem domains. LILO combines LLM-guided program synthesis with recent algorithmic advances in automated refactoring from Stitch: a symbolic compression system that efficiently identifies optimal lambda abstractions across large code corpora. To make these abstractions interpretable, we introduce an auto-documentation (AutoDoc) procedure that infers natural language names and docstrings based on contextual examples of usage. In addition to improving human readability, we find that AutoDoc boosts performance by helping LILO's synthesizer to interpret and deploy learned abstractions. We evaluate LILO on three inductive program synthesis benchmarks for string editing, scene reasoning, and graphics composition. Compared to existing neural and symbolic methods - including the state-of-the-art library learning algorithm DreamCoder - LILO solves more complex tasks and learns richer libraries that are grounded in linguistic knowledge.

João Loula, Benjamin LeBrun, Li Du et al.

A wide range of LM applications require generating text that conforms to syntactic or semantic constraints. Imposing such constraints can be naturally framed as probabilistic conditioning, but exact generation from the resulting distribution -- which can differ substantially from the LM's base distribution -- is generally intractable. In this work, we develop an architecture for controlled LM generation based on sequential Monte Carlo (SMC). Our SMC framework allows us to flexibly incorporate domain- and problem-specific constraints at inference time, and efficiently reallocate computational resources in light of new information during the course of generation. By comparing to a number of alternatives and ablations on four challenging domains -- Python code generation for data science, text-to-SQL, goal inference, and molecule synthesis -- we demonstrate that, with little overhead, our approach allows small open-source language models to outperform models over 8x larger, as well as closed-source, fine-tuned ones. In support of the probabilistic perspective, we show that these performance improvements are driven by better approximation to the posterior distribution. Our system builds on the framework of Lew et al. (2023) and integrates with its language model probabilistic programming language, giving users a simple, programmable way to apply SMC to a broad variety of controlled generation problems.

Joongho Kim, Xirui Huang, Zarreen Reza et al.

Tree-of-Thought (ToT) reasoning boosts the problem-solving abilities of Large Language Models (LLMs) but is computationally expensive due to semantic redundancy, where distinct branches explore equivalent reasoning paths. We introduce Semantic Similarity-Based Dynamic Pruning (SSDP), a lightweight method that, to the best of our knowledge, is the first framework to integrate online semantic merging into parallelized tree search, enabling the clustering and pruning of redundant steps in real time. Across reasoning benchmarks, including GSM8K and MATH500, SSDP achieves up to a 2.3x speedup over state-of-the-art tree-search baselines while maintaining competitive accuracy (typically within 5% of the strongest baseline) and reducing the number of explored nodes by 85-90%, demonstrating a practical approach to efficient, scalable LLM reasoning. The implementation of SSDP is publicly available at https://github.com/kimjoonghokim/SSDP.

Kanishk Gandhi, Denise Lee, Gabriel Grand et al.

Language models are rarely shown fruitful mistakes while training. They then struggle to look beyond the next token, suffering from a snowballing of errors and struggling to predict the consequence of their actions several steps ahead. In this paper, we show how language models can be taught to search by representing the process of search in language, as a flattened string -- a stream of search (SoS). We propose a unified language for search that captures an array of different symbolic search strategies. We demonstrate our approach using the simple yet difficult game of Countdown, where the goal is to combine input numbers with arithmetic operations to reach a target number. We pretrain a transformer-based language model from scratch on a dataset of streams of search generated by heuristic solvers. We find that SoS pretraining increases search accuracy by 25% over models trained to predict only the optimal search trajectory. We further finetune this model with two policy improvement methods: Advantage-Induced Policy Alignment (APA) and Self-Taught Reasoner (STaR). The finetuned SoS models solve 36% of previously unsolved problems, including problems that cannot be solved by any of the heuristic solvers. Our results indicate that language models can learn to solve problems via search, self-improve to flexibly use different search strategies, and potentially discover new ones.

Benjamin Lipkin, Lionel Wong, Gabriel Grand et al.

The relationship between communicated language and intended meaning is often probabilistic and sensitive to context. Numerous strategies attempt to estimate such a mapping, often leveraging recursive Bayesian models of communication. In parallel, large language models (LLMs) have been increasingly applied to semantic parsing applications, tasked with inferring logical representations from natural language. While existing LLM explorations have been largely restricted to literal language use, in this work, we evaluate the capacity of LLMs to infer the meanings of pragmatic utterances. Specifically, we explore the case of threshold estimation on the gradable adjective ``strong'', contextually conditioned on a strength prior, then extended to composition with qualification, negation, polarity inversion, and class comparison. We find that LLMs can derive context-grounded, human-like distributions over the interpretations of several complex pragmatic utterances, yet struggle composing with negation. These results inform the inferential capacity of statistical language models, and their use in pragmatic and semantic parsing applications. All corresponding code is made publicly available (https://github.com/benlipkin/probsem/tree/CogSci2023).

Anna A. Ivanova, Aalok Sathe, Benjamin Lipkin et al. · ibm-research, mit

The ability to build and reason about models of the world is essential for situated language understanding. But evaluating world modeling capabilities in modern AI systems -- especially those based on language models -- has proven challenging, in large part because of the difficulty of disentangling conceptual knowledge about the world from knowledge of surface co-occurrence statistics. This paper presents Elements of World Knowledge (EWoK), a framework for evaluating language models' understanding of the conceptual knowledge underlying world modeling. EWoK targets specific concepts from multiple knowledge domains known to be important for world modeling in humans, from social interactions (help, deceive) to spatial relations (left, right). Objects, agents, and locations in the items can be flexibly filled in, enabling easy generation of multiple controlled datasets. We then introduce EWoK-core-1.0, a dataset of 4,374 items covering 11 world knowledge domains. We evaluate 20 open-weights large language models (1.3B--70B parameters) and compare them with human performance. All tested models perform worse than humans, with results varying drastically across domains. Performance on social interactions and social properties was highest and performance on physical relations and spatial relations was lowest. Overall, this dataset highlights simple cases where even large models struggle and presents rich avenues for targeted research on LLM world modeling capabilities.

Gabriel Grand, Valerio Pepe, Jacob Andreas et al.

Questions combine our mastery of language with our remarkable facility for reasoning about uncertainty. How do people navigate vast hypothesis spaces to pose informative questions given limited cognitive resources? We study these tradeoffs in a classic grounded question-asking task based on the board game Battleship. Our language-informed program sampling (LIPS) model uses large language models (LLMs) to generate natural language questions, translate them into symbolic programs, and evaluate their expected information gain. We find that with a surprisingly modest resource budget, this simple Monte Carlo optimization strategy yields informative questions that mirror human performance across varied Battleship board scenarios. In contrast, LLM-only baselines struggle to ground questions in the board state; notably, GPT-4V provides no improvement over non-visual baselines. Our results illustrate how Bayesian models of question-asking can leverage the statistics of language to capture human priors, while highlighting some shortcomings of pure LLMs as grounded reasoners.

Dev Patel, Gabrielle Gervacio, Diekola Raimi et al.

Large Language Models require substantial computational resources for inference, posing deployment challenges. While dynamic pruning offers superior efficiency over static methods through adaptive circuit selection, it exacerbates alignment degradation by retaining only input-dependent safety-critical circuit preservation across diverse inputs. As a result, addressing these heightened alignment vulnerabilities remains critical. We introduce Alignment-Aware Probe Pruning (AAPP), a dynamic structured pruning method that adaptively preserves alignment-relevant circuits during inference, building upon Probe Pruning. Experiments on LLaMA 2-7B, Qwen2.5-14B-Instruct, and Gemma-3-12B-IT show AAPP improves refusal rates by 50\% at matched compute, enabling efficient yet safety-preserving LLM deployment.

Gabriel Grand, Joshua B. Tenenbaum, Vikash K. Mansinghka et al.

While test-time reasoning enables language models (LMs) to tackle complex tasks, searching or planning in natural language can be slow, costly, and error-prone. But even when LMs struggle to emulate the precise reasoning steps needed to solve a problem, they often excel at describing its abstract structure--both how to verify solutions and how to search for them. This paper introduces DisCIPL, a method for "self-steering" LMs where a Planner model generates a task-specific inference program that is executed by a population of Follower models. Our approach equips LMs with the ability to write recursive search procedures that guide LM inference, enabling new forms of verifiable and efficient reasoning. When instantiated with a small Follower (e.g., Llama-3.2-1B or Qwen3-1.7B), DisCIPL matches (and sometimes outperforms) much larger models, including GPT-4o and o1, on challenging constrained generation tasks. Our work opens up a design space of highly-parallelized Monte Carlo inference strategies that outperform standard best-of-N sampling, require no finetuning, and can be implemented automatically by existing LMs.

Gabriel Grand, Valerio Pepe, Jacob Andreas et al.

Many high-stakes applications of AI require forming data-driven hypotheses and making targeted guesses; e.g., in scientific and diagnostic settings. Given limited resources, to what extent do agents based on language models (LMs) act rationally? We develop methods to benchmark and enhance agentic information-seeking, drawing on insights from human behavior. First, we introduce a strategic decision-oriented dialogue task called Collaborative Battleship, in which a partially-informed Captain must balance exploration (asking questions) and action (taking shots), while a fully-informed Spotter must provide accurate answers under an information bottleneck. Compared to human players (N=42), we find that LM agents struggle to ground answers in context, generate informative questions, and select high-value actions. Next, to address these gaps, we develop novel Monte Carlo inference strategies for LMs based on principles from Bayesian Experimental Design (BED). For Spotter agents, our approach boosts accuracy by up to 14.7% absolute over LM-only baselines; for Captain agents, it raises expected information gain (EIG) by up to 0.227 bits (94.2% of the achievable noise ceiling). Combined, these components yield sharper targeting (+0.303-0.374 F1), and enable weaker LMs, such as Llama-4-Scout, to outperform both humans (8% -> 82% win rate) and frontier models (0% -> 67% win rate vs. GPT-5) at ~1% of GPT-5's cost. We replicate these findings on Guess Who? where our methods significantly boost accuracy (+28.3-42.4 p.p.), demonstrating their general applicability for building rational information-seeking agents.

Seyone Chithrananda, Gabriel Grand, Bharath Ramsundar

GNNs and chemical fingerprints are the predominant approaches to representing molecules for property prediction. However, in NLP, transformers have become the de-facto standard for representation learning thanks to their strong downstream task transfer. In parallel, the software ecosystem around transformers is maturing rapidly, with libraries like HuggingFace and BertViz enabling streamlined training and introspection. In this work, we make one of the first attempts to systematically evaluate transformers on molecular property prediction tasks via our ChemBERTa model. ChemBERTa scales well with pretraining dataset size, offering competitive downstream performance on MoleculeNet and useful attention-based visualization modalities. Our results suggest that transformers offer a promising avenue of future work for molecular representation learning and property prediction. To facilitate these efforts, we release a curated dataset of 77M SMILES from PubChem suitable for large-scale self-supervised pretraining.

Gabriel Grand, Yonatan Belinkov

Visual question answering (VQA) models have been shown to over-rely on linguistic biases in VQA datasets, answering questions "blindly" without considering visual context. Adversarial regularization (AdvReg) aims to address this issue via an adversary sub-network that encourages the main model to learn a bias-free representation of the question. In this work, we investigate the strengths and shortcomings of AdvReg with the goal of better understanding how it affects inference in VQA models. Despite achieving a new state-of-the-art on VQA-CP, we find that AdvReg yields several undesirable side-effects, including unstable gradients and sharply reduced performance on in-domain examples. We demonstrate that gradual introduction of regularization during training helps to alleviate, but not completely solve, these issues. Through error analyses, we observe that AdvReg improves generalization to binary questions, but impairs performance on questions with heterogeneous answer distributions. Qualitatively, we also find that regularized models tend to over-rely on visual features, while ignoring important linguistic cues in the question. Our results suggest that AdvReg requires further refinement before it can be considered a viable bias mitigation technique for VQA.

Gabriel Grand, Aron Szanto, Yoon Kim et al.

Visual question answering (VQA) models respond to open-ended natural language questions about images. While VQA is an increasingly popular area of research, it is unclear to what extent current VQA architectures learn key semantic distinctions between visually-similar images. To investigate this question, we explore a reformulation of the VQA task that challenges models to identify counterexamples: images that result in a different answer to the original question. We introduce two methods for evaluating existing VQA models against a supervised counterexample prediction task, VQA-CX. While our models surpass existing benchmarks on VQA-CX, we find that the multimodal representations learned by an existing state-of-the-art VQA model do not meaningfully contribute to performance on this task. These results call into question the assumption that successful performance on the VQA benchmark is indicative of general visual-semantic reasoning abilities.

Gabriel Grand, Idan Asher Blank, Francisco Pereira et al.

The words of a language reflect the structure of the human mind, allowing us to transmit thoughts between individuals. However, language can represent only a subset of our rich and detailed cognitive architecture. Here, we ask what kinds of common knowledge (semantic memory) are captured by word meanings (lexical semantics). We examine a prominent computational model that represents words as vectors in a multidimensional space, such that proximity between word-vectors approximates semantic relatedness. Because related words appear in similar contexts, such spaces - called "word embeddings" - can be learned from patterns of lexical co-occurrences in natural language. Despite their popularity, a fundamental concern about word embeddings is that they appear to be semantically "rigid": inter-word proximity captures only overall similarity, yet human judgments about object similarities are highly context-dependent and involve multiple, distinct semantic features. For example, dolphins and alligators appear similar in size, but differ in intelligence and aggressiveness. Could such context-dependent relationships be recovered from word embeddings? To address this issue, we introduce a powerful, domain-general solution: "semantic projection" of word-vectors onto lines that represent various object features, like size (the line extending from the word "small" to "big"), intelligence (from "dumb" to "smart"), or danger (from "safe" to "dangerous"). This method, which is intuitively analogous to placing objects "on a mental scale" between two extremes, recovers human judgments across a range of object categories and properties. We thus show that word embeddings inherit a wealth of common knowledge from word co-occurrence statistics and can be flexibly manipulated to express context-dependent meanings.